sodium 5-(1-butylsulfanylethyl)-5-ethyl-4,6-bis(oxidanylidene)-1H-pyrimidine-2-thiolate

Systemtic Name: sodium 5-(1-butylsulfanylethyl)-5-ethyl-4,6-bis(oxidanylidene)-1H-pyrimidine-2-thiolate Openeye Name: sodium 5-(1-butylsulfanylethyl)-5-ethyl-4,6-dioxo-1H-pyrimidine-2-thiolate CAS Name: sodium 5-[1-(butylthio)ethyl]-5-ethyl-4,6-dioxo-1H-pyrimidine-2-thiolate IUPAC Name: sodium 5-(1-butylsulfanylethyl)-5-ethyl-4,6-dioxo-1H-pyrimidine-2-thiolate Traditional Name: sodium 5-[1-(butylthio)ethyl]-5-ethyl-4,6-diketo-1H-pyrimidine-2-thiolate Formula: C12H19N2NaO2S2 MolecularWeight: 310.41123

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(C)C1(C(=O)NC(=NC1=O)[S-])CC.[Na+]

Isomeric SMILES

CCCCSC(C)C1(C(=O)NC(=NC1=O)[S-])CC.[Na+]

InChI

InChI=1S/C12H20N2O2S2.Na/c1-4-6-7-18-8(3)12(5-2)9(15)13-11(17)14-10(12)16;/h8H,4-7H2,1-3H3,(H2,13,14,15,16,17);/q;+1/p-1